2-methyl-5-pyrrolidin-1-ylpyridazin-3-one

C9H13N3O — CID 101073859

IUPAC2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C9H13N3O/c1-11-9(13)6-8(7-10-11)12-4-2-3-5-12/h6-7H,2-5H2,1H3
InChIKeyJTSLALPXGOLMPE-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.38
Rot. Bonds1

About 2-methyl-5-pyrrolidin-1-ylpyridazin-3-one

2-methyl-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 101073859) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-methyl-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID101073859
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C9H13N3O/c1-11-9(13)6-8(7-10-11)12-4-2-3-5-12/h6-7H,2-5H2,1H3
InChIKeyJTSLALPXGOLMPE-UHFFFAOYSA-N
XLogP0.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Pyrrolidin-1-yl)-2,3-dihydropyridazin-3-one
CID 28065109
2-(2,2-difluoroethyl)-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 30937350
2-(2-propoxyethyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72868425
4-Bromo-2-methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 28693452
5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)-3(2H)-pyridazinone
CID 28871573
5-pyrrolidin-1-yl-2-(3,3,4,4-tetrafluorobutyl)pyridazin-3(2H)-one
CID 72868732
2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72895285
Trifluoro-[3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746468
Trifluoro-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]boranuide
CID 114398748
Trifluoro-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398771
2-methyl-5-(piperidin-1-yl)pyridazin-3(2H)-one
CID 13103626

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-methyl-5-pyrrolidin-1-ylpyridazin-3-one (CID 101073859) is 2-methyl-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-methyl-5-pyrrolidin-1-ylpyridazin-3-one is Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is JTSLALPXGOLMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-11-9(13)6-8(7-10-11)12-4-2-3-5-12/h6-7H,2-5H2,1H3.
What are the key properties of 2-methyl-5-pyrrolidin-1-ylpyridazin-3-one?
2-methyl-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 179.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 101073859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).